⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4583200 | 0.96 | PDGFRB (0.53) | — | |
| SCHEMBL4583801 | 0.94 | — | — | |
| SCHEMBL4727134 | 0.93 | GAA (0.57) | — | |
| SCHEMBL4583297 | 0.89 | GAA (0.61) | — | |
| SCHEMBL4583852 | 0.87 | PDGFRB (0.49) | — | |
| SCHEMBL4727740 | 0.87 | GAA (0.50) | — | |
| SCHEMBL4582992 | 0.86 | — | — | |
| SCHEMBL4726941 | 0.85 | PDGFRB (0.49) | — | |
| SCHEMBL4582512 | 0.85 | MEN1 (0.53) | — | |
| SCHEMBL4583521 | 0.84 | PDGFRB (0.55) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008028690-A1 | 1-(HET)ARYL-3-[HETARYL-PIPERIDIN-4-YL]-THIOUREAS AS MODULATORS OF THE EP2 RECEPTOR | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-03-13 | — | — | WO | claimed |